Vitas-M small molecule compound
3-(4-methylphenyl)-11-(4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK082274
SMILES CCCOc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H30N2O2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O2/c1-3-16-33-23-14-12-21(13-15-23)29-28-26(30-24-6-4-5-7-25(24)31-29)17-22(18-27(28)32)20-10-8-19(2)9-11-20/h4-15,22,29-31H,3,16-18H2,1-2H3InChIKey
VUZDVWRSUQXVCN-UHFFFAOYSA-NSynonyms
3(4methylphenyl)11(4propoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4methylphenyl)6(4propoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)C)NC5=CC=CC=C5N2
CCCOc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
InChI=1SC29H30N2O2c13163323141221(131523)292826(3024645725(24)3129)1722(1827(28)32)2010819(2)91120h415222931H31618H212H3
MFCD03489119
STK082274
ZINC000009678759
ZINC000009680335
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